PUBCHEM-ZINC05599899 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 58 0 0 1 0 0 0 0 0999 V2000 -0.1630 0.6670 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.6100 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 1.7500 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 2.3160 4.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3080 2.5700 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 1.8890 6.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 2.1980 7.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 3.1590 8.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 3.8370 8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 3.5480 6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 4.1180 5.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 3.7330 4.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4480 4.4720 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 3.8550 3.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3020 4.7650 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 4.0930 4.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1620 3.2420 4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 5.2500 5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 4.9040 6.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 5.3200 7.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 4.4700 3.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 3.4170 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 2.5670 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 2.1810 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 1.0990 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 2.6480 2.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5530 1.3890 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.3050 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 0.4040 5.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.0610 2.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -0.4080 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 0.9030 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.2220 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 0.1090 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.1850 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 1.2500 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 2.5810 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.1020 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.6730 8.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 3.3730 9.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 4.5800 8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 6.1640 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 5.4850 5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 2.7600 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 3.9180 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 2.1370 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 0.0800 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 1.2920 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.4070 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 0.4230 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 3.8980 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 1.1050 1.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7060 2.1330 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END